General Information of the Compound
| Compound ID |
CP0075842
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| Compound Name |
3-cyclobutyl-7-(1-methylsulfonylpiperidin-4-yl)oxy-1,2,4,5-tetrahydro-3-benzazepine
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| Structure |
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| Formula |
C20H30N2O3S
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| Molecular Weight |
378.538
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| Canonical SMILES |
CS(=O)(=O)N1CCC(CC1)Oc1ccc2CCN(CCc2c1)C1CCC1
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| InChI |
InChI=1S/C20H30N2O3S/c1-26(23,24)22-13-9-19(10-14-22)25-20-6-5-16-7-11-21(18-3-2-4-18)12-8-17(16)15-20/h5-6,15,18-19H,2-4,7-14H2,1H3
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| InChIKey |
DMLHXMGQTILWCG-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound